N-[2-(4-ethylpyrazol-1-yl)ethyl]buta-2,3-dienamide

C11H15N3O — CID 176519548

IUPACN-[2-(4-ethylpyrazol-1-yl)ethyl]buta-2,3-dienamide
SMILESC=C=CC(=O)NCCn1cc(CC)cn1
InChIInChI=1S/C11H15N3O/c1-3-5-11(15)12-6-7-14-9-10(4-2)8-13-14/h5,8-9H,1,4,6-7H2,2H3,(H,12,15)
InChIKeyIUJTWQVUEPBIPS-UHFFFAOYSA-N
MW205.26 g/mol
LogP0.90
Rot. Bonds5

About N-[2-(4-ethylpyrazol-1-yl)ethyl]buta-2,3-dienamide

N-[2-(4-ethylpyrazol-1-yl)ethyl]buta-2,3-dienamide (PubChem CID 176519548) has the molecular formula C11H15N3O and a molecular weight of 205.26 g/mol. Its IUPAC name is N-[2-(4-ethylpyrazol-1-yl)ethyl]buta-2,3-dienamide.

Molecular Properties

Compound NameN-[2-(4-ethylpyrazol-1-yl)ethyl]buta-2,3-dienamide
PubChem CID176519548
Molecular FormulaC11H15N3O
Molecular Weight205.26 g/mol
Exact Mass205.12
IUPAC NameN-[2-(4-ethylpyrazol-1-yl)ethyl]buta-2,3-dienamide
SMILESC=C=CC(=O)NCCn1cc(CC)cn1
InChIInChI=1S/C11H15N3O/c1-3-5-11(15)12-6-7-14-9-10(4-2)8-13-14/h5,8-9H,1,4,6-7H2,2H3,(H,12,15)
InChIKeyIUJTWQVUEPBIPS-UHFFFAOYSA-N
XLogP0.90
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.26
LogP ≤ 50.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

N,4-diethylpyrazole-1-carboxamide
CID 155403649
1,4-diethylpyrazole;ethane
CID 143641951
2-amino-5-(4-ethylpyrazol-1-yl)-2-methylpentanoic acid
CID 165495298
3-(4-ethylpyrazol-1-yl)-2-methyl-2-(methylamino)propanoic acid
CID 165475243
N-[2-(4-aminopyrazol-1-yl)ethyl]-2-propylpentanamide
CID 82985272
4-[(4-ethylpyrazol-1-yl)methyl]benzoic acid
CID 130219911
N-[[1-(3-methylbut-3-enyl)pyrazol-4-yl]methyl]ethanamine
CID 114477113
(E)-N-[2-(4-chloropyrazol-1-yl)ethyl]-3-(4-propan-2-ylphenyl)prop-2-enamide
CID 19283339
2-[(1-propylpyrazol-4-yl)methylamino]ethylurea
CID 103571628
4-ethylpyrazole-1-carboxylic acid
CID 21320246
1-[2-(azetidin-3-yl)ethyl]-4-ethylpyrazole
CID 84768017
tert-butyl N-[2-[(1-propylpyrazol-4-yl)methylamino]ethyl]carbamate
CID 103740168

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-ethylpyrazol-1-yl)ethyl]buta-2,3-dienamide?
The IUPAC name of N-[2-(4-ethylpyrazol-1-yl)ethyl]buta-2,3-dienamide (CID 176519548) is N-[2-(4-ethylpyrazol-1-yl)ethyl]buta-2,3-dienamide.
What is the SMILES notation for N-[2-(4-ethylpyrazol-1-yl)ethyl]buta-2,3-dienamide?
The canonical SMILES for N-[2-(4-ethylpyrazol-1-yl)ethyl]buta-2,3-dienamide is C=C=CC(=O)NCCn1cc(CC)cn1.
What is the InChIKey of N-[2-(4-ethylpyrazol-1-yl)ethyl]buta-2,3-dienamide?
The InChIKey is IUJTWQVUEPBIPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3O/c1-3-5-11(15)12-6-7-14-9-10(4-2)8-13-14/h5,8-9H,1,4,6-7H2,2H3,(H,12,15).
What are the key properties of N-[2-(4-ethylpyrazol-1-yl)ethyl]buta-2,3-dienamide?
N-[2-(4-ethylpyrazol-1-yl)ethyl]buta-2,3-dienamide has a molecular weight of 205.26 g/mol, XLogP of 0.90, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-ethylpyrazol-1-yl)ethyl]buta-2,3-dienamide is sourced from PubChem (CID 176519548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).